[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,5-dimethoxyphenyl)acrylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)OCC(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)OCC(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C22H25NO5S/c1-26-18-10-11-20(27-2)17(15-18)9-12-22(25)28-16-21(24)23-13-6-14-29-19-7-4-3-5-8-19/h3-5,7-12,15H,6,13-14,16H2,1-2H3,(H,23,24)/b12-9+